5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C20H20F4N6O2S — CID 73437696

IUPAC5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)(F)CC(N)CO1
InChIInChI=1S/C20H20F4N6O2S/c1-30-16(13-6-20(23,24)5-9(25)8-32-13)12(7-27-30)28-18(31)15-17(26)33-19(29-15)14-10(21)3-2-4-11(14)22/h2-4,7,9,13H,5-6,8,25-26H2,1H3,(H,28,31)
InChIKeyQYFKQWAZVKFMEO-UHFFFAOYSA-N
MW484.48 g/mol
LogP3.47
Rot. Bonds4

About 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 73437696) has the molecular formula C20H20F4N6O2S and a molecular weight of 484.48 g/mol. Its IUPAC name is 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID73437696
Molecular FormulaC20H20F4N6O2S
Molecular Weight484.48 g/mol
Exact Mass484.13
IUPAC Name5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)(F)CC(N)CO1
InChIInChI=1S/C20H20F4N6O2S/c1-30-16(13-6-20(23,24)5-9(25)8-32-13)12(7-27-30)28-18(31)15-17(26)33-19(29-15)14-10(21)3-2-4-11(14)22/h2-4,7,9,13H,5-6,8,25-26H2,1H3,(H,28,31)
InChIKeyQYFKQWAZVKFMEO-UHFFFAOYSA-N
XLogP3.47
TPSA121.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 73437696) is 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CC(F)(F)CC(N)CO1.
What is the InChIKey of 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QYFKQWAZVKFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N6O2S/c1-30-16(13-6-20(23,24)5-9(25)8-32-13)12(7-27-30)28-18(31)15-17(26)33-19(29-15)14-10(21)3-2-4-11(14)22/h2-4,7,9,13H,5-6,8,25-26H2,1H3,(H,28,31).
What are the key properties of 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(6-amino-4,4-difluorooxepan-2-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 73437696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).